Journal of Chemical Information and Modeling,
Год журнала:
2024,
Номер
64(3), С. 799 - 811
Опубликована: Янв. 18, 2024
The
pursuit
of
designing
smart
and
functional
materials
is
paramount
importance
across
various
domains,
such
as
material
science,
engineering,
chemical
technology,
electronics,
biomedicine,
energy,
numerous
others.
Consequently,
researchers
are
actively
involved
in
the
development
innovative
models
strategies
for
design.
Recent
advancements
analytical
tools,
experimentation,
computer
technology
additionally
enhance
design
possibilities.
Notably,
data-driven
techniques
like
artificial
intelligence
machine
learning
have
achieved
substantial
progress
exploring
applications
within
science.
One
approach,
ChatGPT,
a
large
language
model,
holds
transformative
potential
addressing
complex
queries.
In
this
article,
we
explore
ChatGPT's
understanding
science
by
assigning
some
simple
tasks
subareas
computational
findings
indicate
that
while
ChatGPT
may
make
minor
errors
accomplishing
general
tasks,
it
demonstrates
capability
to
learn
adapt
through
human
interactions.
However,
issues
output
consistency,
probable
hidden
errors,
ethical
consequences
should
be
addressed.
The Innovation,
Год журнала:
2021,
Номер
2(4), С. 100179 - 100179
Опубликована: Окт. 29, 2021
•"Can
machines
think?"
The
goal
of
artificial
intelligence
(AI)
is
to
enable
mimic
human
thoughts
and
behaviors,
including
learning,
reasoning,
predicting,
so
on.•"Can
AI
do
fundamental
research?"
coupled
with
machine
learning
techniques
impacting
a
wide
range
sciences,
mathematics,
medical
science,
physics,
etc.•"How
does
accelerate
New
research
applications
are
emerging
rapidly
the
support
by
infrastructure,
data
storage,
computing
power,
algorithms,
frameworks.
Artificial
promising
(ML)
well
known
from
computer
science
broadly
affecting
many
aspects
various
fields
technology,
industry,
even
our
day-to-day
life.
ML
have
been
developed
analyze
high-throughput
view
obtaining
useful
insights,
categorizing,
making
evidence-based
decisions
in
novel
ways,
which
will
promote
growth
fuel
sustainable
booming
AI.
This
paper
undertakes
comprehensive
survey
on
development
application
different
information
materials
geoscience,
life
chemistry.
challenges
that
each
discipline
meets,
potentials
handle
these
challenges,
discussed
detail.
Moreover,
we
shed
light
new
trends
entailing
integration
into
scientific
discipline.
aim
this
provide
broad
guideline
sciences
potential
infusion
AI,
help
motivate
researchers
deeply
understand
state-of-the-art
AI-based
thereby
continuous
sciences.
Materials Chemistry Frontiers,
Год журнала:
2021,
Номер
5(8), С. 3257 - 3280
Опубликована: Янв. 1, 2021
This
review
provides
a
detailed
overview
of
PM6:Y6-based
organic
solar
cells
(OSCs),
including
the
underlying
mechanisms,
terpolymers
derived
from
PM6,
ternary
or
quaternary
OSCs,
interfacial
engineering
and
electrode
progress.
Journal of Materials Chemistry A,
Год журнала:
2021,
Номер
9(28), С. 15684 - 15695
Опубликована: Янв. 1, 2021
A
time
and
money
efficient
machine
learning
assisted
design
of
non-fullerene
small
molecule
acceptors
for
P3HT
based
organic
solar
cells
is
reported.
Green
solvents
are
also
selected
using
predicted
Hansen
solubility
parameters.
Journal of Materials Chemistry A,
Год журнала:
2022,
Номер
10(8), С. 4170 - 4180
Опубликована: Янв. 1, 2022
A
multi-stage
machine
learning
and
molecular
dynamics
simulation-assisted
pipeline
is
introduced
for
the
time-
cost-efficient
design
screening
of
small
molecule
acceptors
organic
solar
cells.
Chemical Society Reviews,
Год журнала:
2023,
Номер
52(4), С. 1331 - 1381
Опубликована: Янв. 1, 2023
A
comprehensive
summary
and
deep
insights
into
the
synthesis,
characterization
multi-functional
device
applications
of
n-type
ambipolar
organic
semiconductors
are
provided
in
this
study.
Angewandte Chemie International Edition,
Год журнала:
2021,
Номер
60(35), С. 19241 - 19252
Опубликована: Июнь 3, 2021
Abstract
A
dissymmetric
backbone
and
selenophene
substitution
on
the
central
core
was
used
for
synthesis
of
symmetric
or
A‐DA′D‐A
type
non‐fullerene
small
molecular
acceptors
(NF‐SMAs)
with
different
numbers
selenophene.
From
S‐YSS‐Cl
to
A‐WSSe‐Cl
S‐WSeSe‐Cl
,
a
gradually
red‐shifted
absorption
larger
electron
mobility
crystallinity
in
neat
thin
film
observed.
exhibit
stronger
tighter
intermolecular
π–π
stacking
interactions,
extra
S⋅⋅⋅N
non‐covalent
interactions
from
benzothiadiazole,
better
ordered
3D
interpenetrating
charge‐transfer
networks
comparison
thiophene‐based
.
The
‐based
device
has
PCE
17.51
%,
which
is
highest
value
selenophene‐based
NF‐SMAs
binary
polymer
solar
cells.
combination
precise
replacement
effective
improve
J
sc
FF
without
sacrificing
V
oc
Energy and AI,
Год журнала:
2021,
Номер
3, С. 100049 - 100049
Опубликована: Янв. 24, 2021
The
screening
of
advanced
materials
coupled
with
the
modeling
their
quantitative
structural-activity
relationships
has
recently
become
one
hot
and
trending
topics
in
energy
due
to
diverse
challenges,
including
low
success
probabilities,
high
time
consumption,
computational
cost
associated
traditional
methods
developing
materials.
Following
this,
new
research
concepts
technologies
promote
development
necessary.
latest
advancements
artificial
intelligence
machine
learning
have
therefore
increased
expectation
that
data-driven
science
would
revolutionize
scientific
discoveries
towards
providing
paradigms
for
Furthermore,
current
advances
engineering
also
demonstrate
application
technology
not
only
significantly
facilitate
design
but
enhance
discovery
deployment.
In
this
article,
importance
necessity
contributing
global
carbon
neutrality
are
presented.
A
comprehensive
introduction
fundamentals
is
provided,
open-source
databases,
feature
engineering,
algorithms,
analysis
model.
Afterwards,
progress
alkaline
ion
battery
materials,
photovoltaic
catalytic
dioxide
capture
discussed.
Finally,
relevant
clues
successful
applications
remaining
challenges
highlighted.
Energy & Environmental Science,
Год журнала:
2021,
Номер
15(1), С. 320 - 333
Опубликована: Окт. 6, 2021
A
synergistic
hetero-dihalogenated
terminals
strategy
was
systematically
employed
for
the
first
time
to
enhance
single-crystal
packing,
boosting
device
performance
of
a
Y-BO-FCl:PM6
with
remarkable
PCE
17.52%.
